3-Phenylpiperidine
PubChem CID: 107207
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| Compound Synonyms | 3-Phenylpiperidine, 3973-62-4, 3-Phenyl-piperidine, Piperidine, 3-phenyl-, MFCD00804860, EINECS 223-602-7, DTXSID30871048, CHEMBL556366, 3-phenyl piperidine, ChemDiv2_003191, MFCD03839934, 3-phenylpiperdine, SCHEMBL4280, 3-Phenylpiperidine, AldrichCPR, CHEMBL1196278, DTXCID70221467, HMS1378B01, ALBB-008685, BBL022429, BDBM50212380, STK352578, AKOS000300296, AKOS016343928, AB07314, AB16326, AB16327, CS-W009367, FS-1609, s12011, SY050430, SY101319, SY101358, DB-014322, DB-016833, NS00083656, P2006, EN300-106748, F8883-6658, 223-602-7 |
|---|---|
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-phenylpiperidine |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C11H15N |
| Prediction Swissadme | 0.0 |
| Inchi Key | NZYBILDYPCVNMU-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -1.22 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.826 |
| Compound Name | 3-Phenylpiperidine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 161.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4226376 |
| Inchi | InChI=1S/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2 |
| Smiles | C1CC(CNC1)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients